1-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide

C17H22N8OS — CID 3227362

IUPAC1-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
SMILESCCc1c(C)nc2ncnn2c1N1CCCC(C(=O)Nc2nnc(C)s2)C1
InChIInChI=1S/C17H22N8OS/c1-4-13-10(2)20-16-18-9-19-25(16)15(13)24-7-5-6-12(8-24)14(26)21-17-23-22-11(3)27-17/h9,12H,4-8H2,1-3H3,(H,21,23,26)
InChIKeyOKMFZJORICYNAS-UHFFFAOYSA-N
MW386.49 g/mol
LogP2.01
Rot. Bonds4

About 1-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide

1-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide (PubChem CID 3227362) has the molecular formula C17H22N8OS and a molecular weight of 386.49 g/mol. Its IUPAC name is 1-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
PubChem CID3227362
Molecular FormulaC17H22N8OS
Molecular Weight386.49 g/mol
Exact Mass386.16
IUPAC Name1-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
SMILESCCc1c(C)nc2ncnn2c1N1CCCC(C(=O)Nc2nnc(C)s2)C1
InChIInChI=1S/C17H22N8OS/c1-4-13-10(2)20-16-18-9-19-25(16)15(13)24-7-5-6-12(8-24)14(26)21-17-23-22-11(3)27-17/h9,12H,4-8H2,1-3H3,(H,21,23,26)
InChIKeyOKMFZJORICYNAS-UHFFFAOYSA-N
XLogP2.01
TPSA101.20 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.49
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide?
The IUPAC name of 1-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide (CID 3227362) is 1-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide is CCc1c(C)nc2ncnn2c1N1CCCC(C(=O)Nc2nnc(C)s2)C1.
What is the InChIKey of 1-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide?
The InChIKey is OKMFZJORICYNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N8OS/c1-4-13-10(2)20-16-18-9-19-25(16)15(13)24-7-5-6-12(8-24)14(26)21-17-23-22-11(3)27-17/h9,12H,4-8H2,1-3H3,(H,21,23,26).
What are the key properties of 1-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide?
1-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide has a molecular weight of 386.49 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 3227362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).